2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene

C15H14BrFO — CID 63458365

IUPAC2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
SMILESCc1ccc(OCc2ccc(F)c(Br)c2)cc1C
InChIInChI=1S/C15H14BrFO/c1-10-3-5-13(7-11(10)2)18-9-12-4-6-15(17)14(16)8-12/h3-8H,9H2,1-2H3
InChIKeyMZTKPKAHHGXDHT-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.78
Rot. Bonds3

About 2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene

2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene (PubChem CID 63458365) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
PubChem CID63458365
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
SMILESCc1ccc(OCc2ccc(F)c(Br)c2)cc1C
InChIInChI=1S/C15H14BrFO/c1-10-3-5-13(7-11(10)2)18-9-12-4-6-15(17)14(16)8-12/h3-8H,9H2,1-2H3
InChIKeyMZTKPKAHHGXDHT-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene
CID 65202941
2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
CID 107170178
2-bromo-4-[(4-chlorophenoxy)methyl]-1-methylbenzene
CID 117221919
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
5-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxyaniline
CID 83233823
5-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879747
(1S)-1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 78930231
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene
CID 81421870
4-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788655
2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene
CID 117221925

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene (CID 63458365) is 2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene is Cc1ccc(OCc2ccc(F)c(Br)c2)cc1C.
What is the InChIKey of 2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene?
The InChIKey is MZTKPKAHHGXDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-10-3-5-13(7-11(10)2)18-9-12-4-6-15(17)14(16)8-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene?
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene has a molecular weight of 309.18 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene is sourced from PubChem (CID 63458365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).